Simulations of dielectric constants and viscosities of organic electrolytes by quantum mechanics and molecular dynamics
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DOI: 10.1016/j.molliq.2020.113288
Abstract: Abstract Dielectric constants and viscosities are important physical properties of organic electrolytes. Therefore, predicting these properties by practical computer simulations is valuable for developing new batteries. Here, a combination of quantum mechanical calculations and molecular… read more here.
Keywords: constants viscosities; molecular dynamics; dielectric constants; dynamics simulations ... See more keywords